SCHEMBL8068705

SCHEMBL8068705

C=C(C(CC(=O)O)NC(=O)C(CC(C)C)C(=O)NO)N(CCCCC)Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 9/20 0.49
MMP8 P22894 4/20 0.47
LPAR1 Q92633 7/20 0.42
AGTR1 P30556 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL489830 0.92 LTB4R2 (0.51) LTB4R2MMP8LPAR1AGTR1
SCHEMBL1709602 0.92 LTB4R2 (0.51) LTB4R2MMP8LPAR1AGTR1
SCHEMBL13078210 0.85 LTB4R2 (0.50) LTB4R2MMP8LPAR1AGTR1
SCHEMBL489273 0.82 LTB4R2 (0.57) LTB4R2MMP8LPAR1AGTR1
SCHEMBL1281805 0.79 MMP8 (0.45) MMP8
SCHEMBL489832 0.79 MMP8 (0.53) LTB4R2MMP8AGTR1
SCHEMBL489265 0.78 MMP8 (0.43) LTB4R2MMP8AGTR1
SCHEMBL489263 0.78 MMP8 (0.43) LTB4R2MMP8AGTR1
SCHEMBL489488 0.78 MMP8 (0.43) LTB4R2MMP8AGTR1
SCHEMBL3653858 0.75 LTB4R2 (0.46) LTB4R2LPAR1AGTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009035543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-03-19 WO disclosed